# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = FePt2Ta # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.870859783e+02 3.870859783e+02 1.30 3.603458430e+02 3.603458430e+02 1.32 3.354770586e+02 3.354770586e+02 1.34 3.123531098e+02 3.123531098e+02 1.36 2.908451548e+02 2.908451548e+02 1.38 2.708239987e+02 2.708239987e+02 1.40 2.521655868e+02 2.521655868e+02 1.42 2.347562018e+02 2.347562018e+02 1.44 2.184931902e+02 2.184931902e+02 1.46 2.032837712e+02 2.032837712e+02 1.48 1.890461638e+02 1.890461638e+02 1.50 1.757113088e+02 1.757113088e+02 1.52 1.632212363e+02 1.632212363e+02 1.54 1.515241227e+02 1.515241227e+02 1.56 1.405692903e+02 1.405692903e+02 1.58 1.303046061e+02 1.303046061e+02 1.60 1.206765205e+02 1.206765205e+02 1.62 1.116318924e+02 1.116318924e+02 1.64 1.031206970e+02 1.031206970e+02 1.66 9.509883295e+01 9.509883295e+01 1.68 8.753021928e+01 8.753021928e+01 1.70 8.038739599e+01 8.038739599e+01 1.72 7.365008695e+01 7.365008695e+01 1.74 6.730182602e+01 6.730182602e+01 1.76 6.132583780e+01 6.132583780e+01 1.78 5.570319513e+01 5.570319513e+01 1.80 5.041368562e+01 5.041368562e+01 1.82 4.543174937e+01 4.543174937e+01 1.84 4.073270524e+01 4.073270524e+01 1.86 3.636732362e+01 3.636732362e+01 1.88 3.236564176e+01 3.236564176e+01 1.90 2.870058053e+01 2.870058053e+01 1.92 2.534791834e+01 2.534791834e+01 1.94 2.228481689e+01 2.228481689e+01 1.96 1.948934081e+01 1.948934081e+01 1.98 1.694068003e+01 1.694068003e+01 2.00 1.461944497e+01 1.461944497e+01 2.02 1.250766002e+01 1.250766002e+01 2.04 1.058850775e+01 1.058850775e+01 2.06 8.846068212e+00 8.846068212e+00 2.08 7.265213786e+00 7.265213786e+00 2.10 5.831654181e+00 5.831654181e+00 2.12 4.532039944e+00 4.532039944e+00 2.14 3.354048469e+00 3.354048469e+00 2.16 2.286430077e+00 2.286430077e+00 2.18 1.319021304e+00 1.319021304e+00 2.20 4.427300539e-01 4.427300539e-01 2.22 -3.505115186e-01 -3.505115186e-01 2.24 -1.067828528e+00 -1.067828528e+00 2.26 -1.715511833e+00 -1.715511833e+00 2.28 -2.299139156e+00 -2.299139156e+00 2.30 -2.823694008e+00 -2.823694008e+00 2.32 -3.293671231e+00 -3.293671231e+00 2.34 -3.713163161e+00 -3.713163161e+00 2.36 -4.085926070e+00 -4.085926070e+00 2.38 -4.415431398e+00 -4.415431398e+00 2.40 -4.704909458e+00 -4.704909458e+00 2.42 -4.957392718e+00 -4.957392718e+00 2.44 -5.175761793e+00 -5.175761793e+00 2.46 -5.362791085e+00 -5.362791085e+00 2.48 -5.521082152e+00 -5.521082152e+00 2.50 -5.653353452e+00 -5.653353452e+00 2.52 -5.762389938e+00 -5.762389938e+00 2.54 -5.850879465e+00 -5.850879465e+00 2.56 -5.921353715e+00 -5.921353715e+00 2.58 -5.976110253e+00 -5.976110253e+00 2.60 -6.017141611e+00 -6.017141611e+00 2.62 -6.047144714e+00 -6.047144714e+00 2.64 -6.068568587e+00 -6.068568587e+00 2.66 -6.081618390e+00 -6.081618390e+00 2.68 -6.086422479e+00 -6.086422479e+00 2.70 -6.083080443e+00 -6.083080443e+00 2.72 -6.071685250e+00 -6.071685250e+00 2.74 -6.052340469e+00 -6.052340469e+00 2.76 -6.025171442e+00 -6.025171442e+00 2.78 -5.990331828e+00 -5.990331828e+00 2.80 -5.948007779e+00 -5.948007779e+00 2.82 -5.898421718e+00 -5.898421718e+00 2.84 -5.841837206e+00 -5.841837206e+00 2.86 -5.778565650e+00 -5.778565650e+00 2.88 -5.708974849e+00 -5.708974849e+00 2.90 -5.633498298e+00 -5.633498298e+00 2.92 -5.552642773e+00 -5.552642773e+00 2.94 -5.466991329e+00 -5.466991329e+00 2.96 -5.377195925e+00 -5.377195925e+00 2.98 -5.283950448e+00 -5.283950448e+00 3.00 -5.187963154e+00 -5.187963154e+00 3.02 -5.089916142e+00 -5.089916142e+00 3.04 -4.990424693e+00 -4.990424693e+00 3.06 -4.890005890e+00 -4.890005890e+00 3.08 -4.789062646e+00 -4.789062646e+00 3.10 -4.687884791e+00 -4.687884791e+00 3.12 -4.586657370e+00 -4.586657370e+00 3.14 -4.485407583e+00 -4.485407583e+00 3.16 -4.384068331e+00 -4.384068331e+00 3.18 -4.282563259e+00 -4.282563259e+00 3.20 -4.180829015e+00 -4.180829015e+00 3.22 -4.078831434e+00 -4.078831434e+00 3.24 -3.976576401e+00 -3.976576401e+00 3.26 -3.874115435e+00 -3.874115435e+00 3.28 -3.771546252e+00 -3.771546252e+00 3.30 -3.669008723e+00 -3.669008723e+00 3.32 -3.566676798e+00 -3.566676798e+00 3.34 -3.464747309e+00 -3.464747309e+00 3.36 -3.363426804e+00 -3.363426804e+00 3.38 -3.262917829e+00 -3.262917829e+00 3.40 -3.163406091e+00 -3.163406091e+00 3.42 -3.065069375e+00 -3.065069375e+00 3.44 -2.968181717e+00 -2.968181717e+00 3.46 -2.873004028e+00 -2.873004028e+00 3.48 -2.779721701e+00 -2.779721701e+00 3.50 -2.688455070e+00 -2.688455070e+00 3.52 -2.599271293e+00 -2.599271293e+00 3.54 -2.512196553e+00 -2.512196553e+00 3.56 -2.427227889e+00 -2.427227889e+00 3.58 -2.344344103e+00 -2.344344103e+00 3.60 -2.263515416e+00 -2.263515416e+00 3.62 -2.184711618e+00 -2.184711618e+00 3.64 -2.107908613e+00 -2.107908613e+00 3.66 -2.033093267e+00 -2.033093267e+00 3.68 -1.960266522e+00 -1.960266522e+00 3.70 -1.889444730e+00 -1.889444730e+00 3.72 -1.820659211e+00 -1.820659211e+00 3.74 -1.753954103e+00 -1.753954103e+00 3.76 -1.689382657e+00 -1.689382657e+00 3.78 -1.627002270e+00 -1.627002270e+00 3.80 -1.566868691e+00 -1.566868691e+00 3.82 -1.509029943e+00 -1.509029943e+00 3.84 -1.453520565e+00 -1.453520565e+00 3.86 -1.400356798e+00 -1.400356798e+00 3.88 -1.349533181e+00 -1.349533181e+00 3.90 -1.301020896e+00 -1.301020896e+00 3.92 -1.254767961e+00 -1.254767961e+00 3.94 -1.210701130e+00 -1.210701130e+00 3.96 -1.168729201e+00 -1.168729201e+00 3.98 -1.128747308e+00 -1.128747308e+00 4.00 -1.090641701e+00 -1.090641701e+00 4.02 -1.054294574e+00 -1.054294574e+00 4.04 -1.019588536e+00 -1.019588536e+00 4.06 -9.864104371e-01 -9.864104371e-01 4.08 -9.546543213e-01 -9.546543213e-01 4.10 -9.242233971e-01 -9.242233971e-01 4.12 -8.950310215e-01 -8.950310215e-01 4.14 -8.670006283e-01 -8.670006283e-01 4.16 -8.400648699e-01 -8.400648699e-01 4.18 -8.141640423e-01 -8.141640423e-01 4.20 -7.892440873e-01 -7.892440873e-01 4.22 -7.652544480e-01 -7.652544480e-01 4.24 -7.421460494e-01 -7.421460494e-01 4.26 -7.198696348e-01 -7.198696348e-01 4.28 -6.983745999e-01 -6.983745999e-01 4.30 -6.776083697e-01 -6.776083697e-01 4.32 -6.575162665e-01 -6.575162665e-01 4.34 -6.380417547e-01 -6.380417547e-01 4.36 -6.191269174e-01 -6.191269174e-01 4.38 -6.007130246e-01 -6.007130246e-01 4.40 -5.827410894e-01 -5.827410894e-01 4.42 -5.651523443e-01 -5.651523443e-01 4.44 -5.478886184e-01 -5.478886184e-01 4.46 -5.308926267e-01 -5.308926267e-01 4.48 -5.141081986e-01 -5.141081986e-01 4.50 -4.974805593e-01 -4.974805593e-01 4.52 -4.809565938e-01 -4.809565938e-01 4.54 -4.644852524e-01 -4.644852524e-01 4.56 -4.480192482e-01 -4.480192482e-01 4.58 -4.315138840e-01 -4.315138840e-01 4.60 -4.149272891e-01 -4.149272891e-01 4.62 -3.982241089e-01 -3.982241089e-01 4.64 -3.813766437e-01 -3.813766437e-01 4.66 -3.643663332e-01 -3.643663332e-01 4.68 -3.471854549e-01 -3.471854549e-01 4.70 -3.298388723e-01 -3.298388723e-01 4.72 -3.123456451e-01 -3.123456451e-01 4.74 -2.947402834e-01 -2.947402834e-01 4.76 -2.770734219e-01 -2.770734219e-01 4.78 -2.594116958e-01 -2.594116958e-01 4.80 -2.418366424e-01 -2.418366424e-01 4.82 -2.244425368e-01 -2.244425368e-01 4.84 -2.073331650e-01 -2.073331650e-01 4.86 -1.906176938e-01 -1.906176938e-01 4.88 -1.744059046e-01 -1.744059046e-01 4.90 -1.588031716e-01 -1.588031716e-01 4.92 -1.439056236e-01 -1.439056236e-01 4.94 -1.297959142e-01 -1.297959142e-01 4.96 -1.165399569e-01 -1.165399569e-01 4.98 -1.041848590e-01 -1.041848590e-01 5.00 -9.275813889e-02 -9.275813889e-02 5.02 -8.226816291e-02 -8.226816291e-02 5.04 -7.270561998e-02 -7.270561998e-02 5.06 -6.404577164e-02 -6.404577164e-02 5.08 -5.625118488e-02 -5.625118488e-02 5.10 -4.927466602e-02 -4.927466602e-02 5.12 -4.306215501e-02 -4.306215501e-02 5.14 -3.755539033e-02 -3.755539033e-02 5.16 -3.269424735e-02 -3.269424735e-02 5.18 -2.841867059e-02 -2.841867059e-02 5.20 -2.467018617e-02 -2.467018617e-02 5.22 -2.139301271e-02 -2.139301271e-02 5.24 -1.853482846e-02 -1.853482846e-02 5.26 -1.604708226e-02 -1.604708226e-02 5.28 -1.388503751e-02 -1.388503751e-02 5.30 -1.200909787e-02 -1.200909787e-02 5.32 -1.038362180e-02 -1.038362180e-02 5.34 -8.976702293e-03 -8.976702293e-03 5.36 -7.759991047e-03 -7.759991047e-03 5.38 -6.708456137e-03 -6.708456137e-03 5.40 -5.800105011e-03 -5.800105011e-03 5.42 -5.015694989e-03 -5.015694989e-03 5.44 -4.338446325e-03 -4.338446325e-03 5.46 -3.753767521e-03 -3.753767521e-03 5.48 -3.248998730e-03 -3.248998730e-03 5.50 -2.813176316e-03 -2.813176316e-03 5.52 -2.436819749e-03 -2.436819749e-03 5.54 -2.111740762e-03 -2.111740762e-03 5.56 -1.830873839e-03 -1.830873839e-03 5.58 -1.588126674e-03 -1.588126674e-03 5.60 -1.378248951e-03 -1.378248951e-03 5.62 -1.196717696e-03 -1.196717696e-03 5.64 -1.039637472e-03 -1.039637472e-03 5.66 -9.036537468e-04 -9.036537468e-04 5.68 -7.858778706e-04 -7.858778706e-04 5.70 -6.838222308e-04 -6.838222308e-04 5.72 -5.953442974e-04 -5.953442974e-04 5.74 -5.185983942e-04 -5.185983942e-04 5.76 -4.519941734e-04 -4.519941734e-04 5.78 -3.941608882e-04 -3.941608882e-04 5.80 -3.439166718e-04 -3.439166718e-04 5.82 -3.002421336e-04 -3.002421336e-04 5.84 -2.622576702e-04 -2.622576702e-04 5.86 -2.292039740e-04 -2.292039740e-04 5.88 -2.004252876e-04 -2.004252876e-04 5.90 -1.753550192e-04 -1.753550192e-04 5.92 -1.535033828e-04 -1.535033828e-04 5.94 -1.344467777e-04 -1.344467777e-04 5.96 -1.178186602e-04 -1.178186602e-04 5.98 -1.033016957e-04 -1.033016957e-04 6.00 -9.062100927e-05 -9.062100927e-05